(2R,5S)-2,5-di(propan-2-yl)oxolane

C10H20O — CID 12641398

IUPAC(2R,5S)-2,5-di(propan-2-yl)oxolane
SMILESCC(C)[C@@H]1CC[C@H](C(C)C)O1
InChIInChI=1S/C10H20O/c1-7(2)9-5-6-10(11-9)8(3)4/h7-10H,5-6H2,1-4H3/t9-,10+
InChIKeyRHXMWPWNZVBGBJ-AOOOYVTPSA-N
MW156.27 g/mol
LogP2.85
Rot. Bonds2

About (2R,5S)-2,5-di(propan-2-yl)oxolane

(2R,5S)-2,5-di(propan-2-yl)oxolane (PubChem CID 12641398) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is (2R,5S)-2,5-di(propan-2-yl)oxolane.

Molecular Properties

Compound Name(2R,5S)-2,5-di(propan-2-yl)oxolane
PubChem CID12641398
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Name(2R,5S)-2,5-di(propan-2-yl)oxolane
SMILESCC(C)[C@@H]1CC[C@H](C(C)C)O1
InChIInChI=1S/C10H20O/c1-7(2)9-5-6-10(11-9)8(3)4/h7-10H,5-6H2,1-4H3/t9-,10+
InChIKeyRHXMWPWNZVBGBJ-AOOOYVTPSA-N
XLogP2.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,6-di(propan-2-yl)oxane
CID 58987631
2-(1-bromoethyl)-5-propan-2-yloxolane
CID 71321882
3-methyl-2,6-di(propan-2-yl)oxane
CID 144905870
ethane;(5-propan-2-yloxolan-2-yl)methanol
CID 170570841
(2S)-2-methyl-6-propan-2-yloxane
CID 118613314
ethene;3-methyl-6-propan-2-yloxan-2-ol
CID 143052735
ethane;(5-propan-2-yloxolan-2-yl)methyl acetate
CID 142391715
2,7-di(propan-2-yl)-1,6-dioxaspiro[4.4]nonane
CID 134997635
3-propan-2-yl-2,6-dioxabicyclo[3.1.0]hexane
CID 163523755
5-ethyl-2-propan-2-yloxane
CID 129254270
2,4-dimethyl-6-propan-2-yloxane
CID 86234215
(4aS,6R,9aR)-6-propan-2-yl-3,4,4a,6,7,8,9,9a-octahydropyrano[3,2-b]oxepin-2-one
CID 11469914

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-2,5-di(propan-2-yl)oxolane?
The IUPAC name of (2R,5S)-2,5-di(propan-2-yl)oxolane (CID 12641398) is (2R,5S)-2,5-di(propan-2-yl)oxolane.
What is the SMILES notation for (2R,5S)-2,5-di(propan-2-yl)oxolane?
The canonical SMILES for (2R,5S)-2,5-di(propan-2-yl)oxolane is CC(C)[C@@H]1CC[C@H](C(C)C)O1.
What is the InChIKey of (2R,5S)-2,5-di(propan-2-yl)oxolane?
The InChIKey is RHXMWPWNZVBGBJ-AOOOYVTPSA-N. The full InChI is InChI=1S/C10H20O/c1-7(2)9-5-6-10(11-9)8(3)4/h7-10H,5-6H2,1-4H3/t9-,10+.
What are the key properties of (2R,5S)-2,5-di(propan-2-yl)oxolane?
(2R,5S)-2,5-di(propan-2-yl)oxolane has a molecular weight of 156.27 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-2,5-di(propan-2-yl)oxolane is sourced from PubChem (CID 12641398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).